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1-Methyl-1-phenylethyl isobutyrate

PropertiesImage
MNX_IDMNXM115987 Image of MNXM115987
referencehmdb:HMDB0037623
formulaC13H18O2
global charge0
mol weight206.285
InChIKeyLQOHUFIIIKBPQC-UHFFFAOYSA-N
InChIInChI=1S/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3
SMILESCC(C)C(=O)OC(C)(C)C1=CC=CC=C1
MNX internals
InChI (mnx)InChI=1/C13H18O2/c1-10(2)12(14)15-13(3,4)11-8-6-5-7-9-11/h5-10H,1-4H3 Image of MNXM115987
SMILES (mnx)[CH3:1][CH:10]([CH3:2])[C:12](=[O:14])[O:15][C:13]([CH3:3])([CH3:4])[C:11]1=[CH:8][CH:6]=[CH:5][CH:7]=[CH:9]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0037623
LQOHUFIIIKBPQC-UHFFFAOYSA-N 		1-Methyl-1-phenylethyl isobutyrate
1-Methyl-1-phenylethyl 2-methylpropanoate
1-Methyl-1-phenylethyl isobutyric acid
2-Phenylpropan-2-yl 2-methylpropanoate
2-Phenylpropan-2-yl 2-methylpropanoic acid
2-Phenylpropan-2-yl isobutyrate
2-phenylpropan-2-yl 2-methylpropanoate
FEMA 2388
Isobutyric acid, alpha,alpha-dimethylbenzyl ester
Phenyl dimethyl carbinyl isobutyrate
Propanoic acid, 2-methyl-, 1-methyl-1-phenylethyl ester
a,a-Dimethylbenzyl isobutyrate
alpha,alpha-Dimethylbenzyl 2-methylpropanoate
alpha,alpha-Dimethylbenzyl isobutyrate

hmdb:HMDB37623 		secondary/obsolete/fantasy identifier